smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(C(=O)c2ccc([O-])c(O)c2[O-])cc1	ZINC000003203922	560188876	/nfs/dbraw/zinc/18/88/76/560188876.db2.gz	VYIBOCHDJVESIU-UHFFFAOYSA-N	-2	3	274.272	2.433	3	10	in-vitro	CECFHL
COc1c([O-])c(C)cc2c1C(=O)c1ccc([O-])cc1C2=O	ZINC000015063125	560228181	/nfs/dbraw/zinc/22/81/81/560228181.db2.gz	YOLAXMPGPQVJLK-UHFFFAOYSA-N	-2	3	284.267	2.190	1	10	biogenic,in-vitro	CECFHL
COc1cc2c(cc1[O-])C(=O)c1c([O-])c(C)ccc1C2=O	ZINC000014814393	290843543	/nfs/dbraw/zinc/84/35/43/290843543.db2.gz	BVNMMZKNCPOEFW-UHFFFAOYSA-N	-2	3	284.267	2.190	1	10	biogenic,in-vitro	CECFHL
Cc1cc([O-])c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O	ZINC000038778360	174155504	/nfs/dbraw/zinc/15/55/04/174155504.db2.gz	PKUBGLYEOAJPEG-UHFFFAOYSA-N	-2	3	268.268	2.490	1	10		CECFHL
Cc1cc([O-])c(O)c2oc3cc(O)cc(=O)c-3c([O-])c12	ZINC000014761284	170644642	/nfs/dbraw/zinc/64/46/42/170644642.db2.gz	REMPMEBGVJJOHV-UHFFFAOYSA-N	-2	3	274.228	2.077	1	10		CECFHL
Cc1cc([O-])c(O)c2oc3cc([O-])cc(O)c3c(=O)c12	ZINC000014761284	170644643	/nfs/dbraw/zinc/64/46/43/170644643.db2.gz	REMPMEBGVJJOHV-UHFFFAOYSA-N	-2	3	274.228	2.077	1	10		CECFHL
CC1C=C2C(=O)c3cc([O-])cc([O-])c3C(=O)C2=C(O)C1	ZINC000103541241	560052143	/nfs/dbraw/zinc/05/21/43/560052143.db2.gz	BFHDUHKLHNIRFV-UFBFGSQYSA-N	-2	3	272.256	2.111	1	10	biogenic,in-vitro	CECFHL
O=c1c2ccc([O-])c(O)c2occ1-c1ccc(O)c([O-])c1	ZINC000002585769	560124114	/nfs/dbraw/zinc/12/41/14/560124114.db2.gz	VMOBWBRUROXCOO-UHFFFAOYSA-N	-2	3	286.239	2.282	1	10	endogenous,in-man	CECFHL
O=c1c(-c2ccc([O-])cc2)coc2c(O)c([O-])c(O)cc12	ZINC000014759297	290848486	/nfs/dbraw/zinc/84/84/86/290848486.db2.gz	CDRYROJFUGYDQH-UHFFFAOYSA-N	-2	3	286.239	2.282	1	10	biogenic,in-vitro	CECFHL
CCOc1cccc(C(=O)c2ccc([O-])c(O)c2[O-])c1	ZINC000003978516	560192578	/nfs/dbraw/zinc/19/25/78/560192578.db2.gz	GIPLQLQEWXCSIX-UHFFFAOYSA-N	-2	3	274.272	2.433	3	10	in-vitro	CECFHL
CCc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O)c1C2=O	ZINC000095099052	560062717	/nfs/dbraw/zinc/06/27/17/560062717.db2.gz	CGCTVXXLXDYWHQ-UHFFFAOYSA-N	-2	3	284.267	2.141	1	10	biogenic,in-vitro	CECFHL
Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])ccc1C2=O	ZINC000013334399	571697922	/nfs/dbraw/zinc/69/79/22/571697922.db2.gz	CABAPJGWBVFEQH-UHFFFAOYSA-N	-2	3	254.241	2.182	1	10	endogenous,in-man	CECFHL
COc1ccc(C(=O)c2ccc([O-])cc2)c([O-])c1O	ZINC000003203955	560188871	/nfs/dbraw/zinc/18/88/71/560188871.db2.gz	YYQLEVUVEAKBKB-UHFFFAOYSA-N	-2	3	260.245	2.043	3	10	in-vitro	CECFHL
COc1c([O-])ccc2c1C(=O)c1c([O-])cc(C)cc1C2=O	ZINC000014814143	286187147	/nfs/dbraw/zinc/18/71/47/286187147.db2.gz	OCZOZMSHTPWVFR-UHFFFAOYSA-N	-2	3	284.267	2.190	1	10		CECFHL